(1R,2S,4R,5R,6R)-3-Thiatricyclo[3.2.1.0^2,4]octane-6-carbonitrile
[CAS# 751437-86-2]

Identification

• Name: (1R,2S,4R,5R,6R)-3-Thiatricyclo[3.2.1.0^2,4]octane-6-carbonitrile
• Synonyms: (1R,2S,4R,5R,6R)-3-thiatricyclo[3.2.1.02,4]octane-6-carbonitrile
• Molecular Formula: C₈H₉NS
• Molecular Weight: 151.23
• CAS Registry Number: 751437-86-2
• SMILES: C1[C@@H]2C[C@H]([C@@H]1C#N)[C@@H]3[C@H]2S3
• InChI: 1S/C8H9NS/c9-3-5-1-4-2-6(5)8-7(4)10-8/h4-8H,1-2H2/t4-,5+,6-,7+,8-/m1/s1
• InChIKey: HFRWRFVLSUVCGS-RZUNNTJFSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 313.9±25.0°C at 760 mmHg (Cal.)
• Flash point: 143.6±23.2°C (Cal.)
• Refractive index: 1.624 (Cal.)